| CID | 35 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 235 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 2 |
| pubchem_cactvs_subskeys | AAADcYBgOAAEAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgIACAAACAaAgAAACAAABgCIACDSCAAAAAAgAAAICAEAAkgABBQAIAACUAAFoAAIIYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-(2-chloro-5-oxo-2-furyl)acetic acid |
| pubchem_iupac_cas_name | 2-(2-chloro-5-oxo-2-furyl)acetic acid |
| pubchem_iupac_systematic_name | 2-(2-chloro-5-oxo-furan-2-yl)ethanoic acid |
| pubchem_iupac_traditional_name | 2-(2-chloro-5-keto-2-furyl)acetic acid |
| pubchem_nist_inchi | InChI=1S/C6H5ClO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 175.987636 |
| pubchem_molecular_formula | C6H5ClO4 |
| pubchem_molecular_weight | 176.5545 |
| pubchem_openeye_can_smiles | C1=CC(OC1=O)(CC(=O)O)Cl |
| pubchem_openeye_iso_smiles | C1=CC(OC1=O)(CC(=O)O)Cl |
| pubchem_cactvs_tpsa | 63.6 |
| pubchem_monoisotopic_weight | 175.987636 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 11 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 1 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_bondannotations | 6 1 3 |
